6-chloro-N,N-bis(propan-2-yl)pyridine-3-sulfonamide

• ChemBase ID: 232118
• Molecular Formular: C11H17ClN2O2S
• Molecular Mass: 276.78288
• Monoisotopic Mass: 276.06992647
• SMILES: S(=O)(=O)(N(C(C)C)C(C)C)c1cnc(cc1)Cl
• Canonical SMILES: CC(N(S(=O)(=O)c1ccc(nc1)Cl)C(C)C)C
• InChI: InChI=1S/C11H17ClN2O2S/c1-8(2)14(9(3)4)17(15,16)10-5-6-11(12)13-7-10/h5-9H,1-4H3
• InChIKey: UBAWWMMWTSPSHA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-N,N-bis(propan-2-yl)pyridine-3-sulfonamide
• IUPAC Traditional name: 6-chloro-N,N-diisopropylpyridine-3-sulfonamide
• Synonyms: 6-chloro-N,N-bis(propan-2-yl)pyridine-3-sulfonamide

Database IDs

• PubChem SID: 164288028
• PubChem CID: 2433231

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.179944
• LogD (pH = 7.4): 2.179944
• Log P: 2.179944
• Molar Refractivity: 70.0533 cm^3
• Polarizability: 27.73555 Å^3
• Polar Surface Area: 50.27 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.408

Product Information

• Purity: 95%